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PREGN-4-EN-9-ALPHA,14-ALPHA-DIOL-3,20-DIONE
SpectraBase Compound ID ICqbPcpWG9z
InChI InChI=1S/C21H30O4/c1-13(22)16-7-9-20(24)17-5-4-14-12-15(23)6-8-18(14,2)21(17,25)11-10-19(16,20)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey RYHHDVXAICNHJH-XHCJJCCMSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INIhFTbifBc
Name Pregn-4-ene-3,20-dione, 9,14-dihydroxy-
CAS Registry Number 595-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(22)16-7-9-20(24)17-5-4-14-12-15(23)6-8-18(14,2)21(17,25)11-10-19(16,20)3/h12,16-17,24-25H,4-11H2,1-3H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey RYHHDVXAICNHJH-XHCJJCCMSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@]12CC[C@]3([C@@](CC[C@@]3(C(=O)C)[H])([C@@]1(CCC1=CC(=O)CC[C@]21C)[H])O)C
SPLASH splash10-00kb-0039000000-40a28afebcd534436928
Source of Spectrum I-63-1125-0
Synonyms 9,14-dihydroxypregn-4-ene-3,20-dione Pregn-4-ene-9.alpha.,14.alpha.-diol-3,20-dione
Wiley ID 1339488